Home Carboxys 4-Formyl-1H-pyrrole-2-carboxylic acid

4-Formyl-1H-pyrrole-2-carboxylic acid

CAS No.:
7126-53-6
Catalog Number:
AG00FEOI
Molecular Formula:
C6H5NO3
Molecular Weight:
139.1088
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Product Description
Catalog Number:
AG00FEOI
Chemical Name:
4-Formyl-1H-pyrrole-2-carboxylic acid
CAS Number:
7126-53-6
Molecular Formula:
C6H5NO3
Molecular Weight:
139.1088
MDL Number:
MFCD09754207
IUPAC Name:
4-formyl-1H-pyrrole-2-carboxylic acid
InChI:
InChI=1S/C6H5NO3/c8-3-4-1-5(6(9)10)7-2-4/h1-3,7H,(H,9,10)
InChI Key:
IGQGTSFYIOGZRK-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c(c1)C(=O)O
Properties
Complexity:
157  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.027g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
139.11g/mol
Monoisotopic Mass:
139.027g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties